SCHEMBL4593693

SCHEMBL4593693

CN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3cccc(Br)c3)n2)CC1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.81
BRD4 O60885 8/20 0.62
BRDT Q58F21 2/20 0.62
BRD2 P25440 1/20 0.61
BRD3 Q15059 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6957344 0.90 MAPK14 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6962991 0.88 MAPK14 (0.64) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL8524327 0.86 MAPK14 (0.59) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL27441160 0.83 MAPK14 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL4915665 0.81 MAPK14 (0.80) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL4585618 0.81 MAPK14 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6794576 0.80 MAPK14 (0.85) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6791353 0.80 MAPK14 (0.84) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL4907598 0.79 MAPK14 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL4584430 0.79 MAPK14 (0.51) MAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1130358-C Imidazole compound and preparation method and application thereof SMITHKLINE BEECHAM CORP (US) 2003-12-10 CN claimed
EP-0831830-B1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP claimed
CN-1192147-A Imidazole compounds SMITHKLINE BEECHAM CORP (US) 1998-09-02 CN claimed
EP-1539121-A4 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2008-08-13 EP disclosed
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS PROTTER ANDREW A 2008-05-08 US disclosed
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase PROTTER ANDREW A 2008-02-14 US disclosed
US-7268139-B2 Methods of promoting osteogenesis SCIOS, INC. (US) 2007-09-11 US disclosed
US-7244441-B2 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. (US) 2007-07-17 US disclosed
EP-1676574-A2 Methods for promoting survival of transplanted tissues and cells Johnson & Johnson Vision Care, Inc. (US) 2006-07-05 EP disclosed
US-20060019971-A1 Treatment of cardiovascular disease with inhibitors of p38 kinase SCIOS INC. 2006-01-26 US disclosed
US-20050129729-A1 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. 2005-06-16 US disclosed
US-20040122008-A1 Treatment of pain by inhibition of p38 MAP kinase SCIOS, INC. 2004-06-24 US disclosed
WO-2004019873-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2004-03-11 WO disclosed
CN-1130358-C Imidazole compound and preparation method and application thereof SMITHKLINE BEECHAM CORP (US) 2003-12-10 CN disclosed
EP-1314728-A1 Pyridyl and pyrimidinyl imines as intermediates for imidazole derivatives SMITHKLINE BEECHAM CORPORATION (US) 2003-05-28 EP disclosed
EP-0831830-B1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
US-6218537-B1 Process for making pyridyl and pyrimidine substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION 2001-04-17 US disclosed
US-6096739-A Treatment for CNS injuries SMITHKLINE BEECHAM CORPORATION (US) 2000-08-01 US disclosed
CN-1192147-A Imidazole compounds SMITHKLINE BEECHAM CORP (US) 1998-09-02 CN disclosed
US-5658903-A Imidazole compounds, compositions and use SMITHKLINE BEECHAM CORPORATION (US) 1997-08-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060019971-A1 Treatment of cardiovascular disease with inhibitors of p38 kinase MAPKAPK5, MAPK1, MAPKAPK2 MAPK14 36/4885BRD4 1349/4885BRDT 3829/4885
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS MAPK1, BMP2, MAPK3 MAPK14 23/4885BRD4 1516/4885BRDT 2959/4885
US-20040122008-A1 Treatment of pain by inhibition of p38 MAP kinase OPRK1, OPRL1, MAPK3 MAPK14 36/4885BRD4 3147/4885BRDT 2899/4885
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase OPRK1, OPRL1, MAPK3 MAPK14 36/4885BRD4 3147/4885BRDT 2899/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.